![5-(o-tolyloxy)-6H-anthra[1,9-cd]isoxazol-6-one structure](/static/products/3127/312756-06-2.webp)
5-(o-tolyloxy)-6H-anthra[1,9-cd]isoxazol-6-one
TL;DR: 5-(o-tolyloxy)-6H-anthra[1,9-cd]isoxazol-6-one (CAS 312756-06-2) is a chemical compound with molecular formula C21H13NO3 and molecular weight 327.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
10-(2-methylphenoxy)-15-oxa-14-azatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,9,11,13-heptaen-8-one
Also Known As: ChemDiv1_019223, 5-(o-tolyloxy)-6H-anthra[1,9-cd]isoxazol-6-one, F0137-1143, 5-(o-tolyloxy)-1-oxa-2-aza-6H-aceanthrylen-6-one, 5-(2-methylphenoxy)-6H-anthra[1,9-cd][1,2]oxazol-6-one
| Molecular Formula | C21H13NO3 |
|---|---|
| Molecular Weight | 327.09 g/mol |
| LogP | 5.13992 |
| Topological Polar Surface Area | 52.33 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 327.08954 |
| Heavy Atoms | 25 |
| Complexity | 1156.99 |
Chemical Identifiers
| CAS Number | 312756-06-2 |
|---|---|
| SMILES | CC1=CC=CC=C1OC2=C3C4=C(C5=CC=CC=C5C3=O)ON=C4C=C2 |
Product Overview
5-(o-tolyloxy)-6H-anthra[1,9-cd]isoxazol-6-one (CAS 312756-06-2), with molecular formula C21H13NO3 and molecular weight 327.09 g/mol. IUPAC: 10-(2-methylphenoxy)-15-oxa-14-azatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,9,11,13-heptaen-8-one.
Chemical Property Profile of 5-(o-tolyloxy)-6H-anthra[1,9-cd]isoxazol-6-one
Property Insights of 5-(o-tolyloxy)-6H-anthra[1,9-cd]isoxazol-6-one
The XLogP value of 5.13992 indicates that 5-(o-tolyloxy)-6H-anthra[1,9-cd]isoxazol-6-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.33 Ų, 5-(o-tolyloxy)-6H-anthra[1,9-cd]isoxazol-6-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(o-tolyloxy)-6H-anthra[1,9-cd]isoxazol-6-one has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5-(o-tolyloxy)-6H-anthra[1,9-cd]isoxazol-6-one?
The CAS number of 5-(o-tolyloxy)-6H-anthra[1,9-cd]isoxazol-6-one is 312756-06-2.
What is the molecular formula of 5-(o-tolyloxy)-6H-anthra[1,9-cd]isoxazol-6-one?
The molecular formula of 5-(o-tolyloxy)-6H-anthra[1,9-cd]isoxazol-6-one is C21H13NO3.
What is the molecular weight of 5-(o-tolyloxy)-6H-anthra[1,9-cd]isoxazol-6-one?
The molecular weight of 5-(o-tolyloxy)-6H-anthra[1,9-cd]isoxazol-6-one is 327.09 g/mol.
Where can I buy 5-(o-tolyloxy)-6H-anthra[1,9-cd]isoxazol-6-one?
You can request a quote for 5-(o-tolyloxy)-6H-anthra[1,9-cd]isoxazol-6-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(o-tolyloxy)-6H-anthra[1,9-cd]isoxazol-6-one?
Yes, KEHONG BIO provides custom synthesis services for 5-(o-tolyloxy)-6H-anthra[1,9-cd]isoxazol-6-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.